CID 354316

5-aminonicotinic acid

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=C(C=NC=C1N)C(=O)O

InChI

InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)

InChIKey

BYIORJAACCWFPU-UHFFFAOYSA-N

Compound name

5-aminopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 881
Patents: 138.04292 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.05020	125.3
[M+Na]+	161.03214	136.6
[M+NH4]+	156.07674	132.6
[M+K]+	177.00608	132.4
[M-H]-	137.03564	126.0
[M+Na-2H]-	159.01759	131.3
[M]+	138.04237	126.7
[M]-	138.04347	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe